2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid

C16H28N2O3 — CID 79842703

IUPAC2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid
SMILESCC(C)C1CCCN(C(=O)NC2(CC(=O)O)CCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-12(2)13-5-3-9-18(10-6-13)15(21)17-16(7-4-8-16)11-14(19)20/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeySHWOZSWYLHTPPE-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.85
Rot. Bonds4

About 2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 79842703) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID79842703
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid
SMILESCC(C)C1CCCN(C(=O)NC2(CC(=O)O)CCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-12(2)13-5-3-9-18(10-6-13)15(21)17-16(7-4-8-16)11-14(19)20/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeySHWOZSWYLHTPPE-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(piperidine-1-carbonylamino)cyclopentyl]acetic acid
CID 64702189
2-[1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64701838
2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64700652
2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79842690
2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79851776
2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid
CID 64700651
2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 106588104
2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79845570
2-[1-(methylamino)cyclohexyl]-1-(4-propan-2-ylazepan-1-yl)ethanone
CID 65242623
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)cyclobutyl]acetic acid
CID 113335983
2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 102962682
2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid
CID 79851852

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid (CID 79842703) is 2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid is CC(C)C1CCCN(C(=O)NC2(CC(=O)O)CCC2)CC1.
What is the InChIKey of 2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is SHWOZSWYLHTPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12(2)13-5-3-9-18(10-6-13)15(21)17-16(7-4-8-16)11-14(19)20/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79842703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).